[(3R)-1-[1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

C23H39N5O — CID 95401335

IUPAC[(3R)-1-[1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)Cn1cncc1CN1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C23H39N5O/c1-19(2)15-28-18-24-14-22(28)17-25-12-7-21(8-13-25)27-11-5-6-20(16-27)23(29)26-9-3-4-10-26/h14,18-21H,3-13,15-17H2,1-2H3/t20-/m1/s1
InChIKeyVOTBBBCARCKTJB-HXUWFJFHSA-N
MW401.60 g/mol
LogP2.84
Rot. Bonds6

About [(3R)-1-[1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

[(3R)-1-[1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 95401335) has the molecular formula C23H39N5O and a molecular weight of 401.60 g/mol. Its IUPAC name is [(3R)-1-[1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-[1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID95401335
Molecular FormulaC23H39N5O
Molecular Weight401.60 g/mol
Exact Mass401.32
IUPAC Name[(3R)-1-[1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)Cn1cncc1CN1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C23H39N5O/c1-19(2)15-28-18-24-14-22(28)17-25-12-7-21(8-13-25)27-11-5-6-20(16-27)23(29)26-9-3-4-10-26/h14,18-21H,3-13,15-17H2,1-2H3/t20-/m1/s1
InChIKeyVOTBBBCARCKTJB-HXUWFJFHSA-N
XLogP2.84
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.60
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-1-[1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96579465
azocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 70776604
[(3S)-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95455770
[(3R)-1-[1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95557907
piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56870645
azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96573815
azocan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone
CID 45192001
[(3S)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95549340
azepan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone;oxalic acid
CID 90483690
[(3S)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95463607
pyrrolidin-1-yl-[(3S)-1-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95558373
[(3R)-1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 96571674

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R)-1-[1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 95401335) is [(3R)-1-[1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R)-1-[1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R)-1-[1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is CC(C)Cn1cncc1CN1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1.
What is the InChIKey of [(3R)-1-[1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VOTBBBCARCKTJB-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H39N5O/c1-19(2)15-28-18-24-14-22(28)17-25-12-7-21(8-13-25)27-11-5-6-20(16-27)23(29)26-9-3-4-10-26/h14,18-21H,3-13,15-17H2,1-2H3/t20-/m1/s1.
What are the key properties of [(3R)-1-[1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3R)-1-[1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 401.60 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 95401335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).