1-[[(3R)-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide

C17H32N4O — CID 177096923

IUPAC1-[[(3R)-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C[C@H]2CCN(C[C@H]3CCCNC3)C2)CC1
InChIInChI=1S/C17H32N4O/c18-17(22)16-4-8-20(9-5-16)12-15-3-7-21(13-15)11-14-2-1-6-19-10-14/h14-16,19H,1-13H2,(H2,18,22)/t14-,15+/m0/s1
InChIKeyFBCFUTANBYRBCY-LSDHHAIUSA-N
MW308.47 g/mol
LogP0.51
Rot. Bonds5

About 1-[[(3R)-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide

1-[[(3R)-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide (PubChem CID 177096923) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-[[(3R)-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[(3R)-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
PubChem CID177096923
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Name1-[[(3R)-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C[C@H]2CCN(C[C@H]3CCCNC3)C2)CC1
InChIInChI=1S/C17H32N4O/c18-17(22)16-4-8-20(9-5-16)12-15-3-7-21(13-15)11-14-2-1-6-19-10-14/h14-16,19H,1-13H2,(H2,18,22)/t14-,15+/m0/s1
InChIKeyFBCFUTANBYRBCY-LSDHHAIUSA-N
XLogP0.51
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(3R)-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
(3R)-1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;hydrochloride
CID 130662876
3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine
CID 63169624
1-cyclopropyl-3-[1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]urea
CID 120849812
1-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
CID 55064960
3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride
CID 120848616
piperidin-3-yl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119894675
2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol
CID 86323269
N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanamine;hydrochloride
CID 120847679
3-(methoxymethyl)-1-(piperidin-3-ylmethyl)piperidine
CID 103815846
1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidine
CID 58880458
5-[[(3S)-piperidin-3-yl]methyl]-1,2,5-dithiazepane
CID 130659365

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[(3R)-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide (CID 177096923) is 1-[[(3R)-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[(3R)-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[(3R)-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide is NC(=O)C1CCN(C[C@H]2CCN(C[C@H]3CCCNC3)C2)CC1.
What is the InChIKey of 1-[[(3R)-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide?
The InChIKey is FBCFUTANBYRBCY-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H32N4O/c18-17(22)16-4-8-20(9-5-16)12-15-3-7-21(13-15)11-14-2-1-6-19-10-14/h14-16,19H,1-13H2,(H2,18,22)/t14-,15+/m0/s1.
What are the key properties of 1-[[(3R)-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide?
1-[[(3R)-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide has a molecular weight of 308.47 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 177096923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).