3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride

C20H33ClN4O2 — CID 119730353

IUPAC3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)CC(C)C2CCCNC2)cc1.Cl
InChIInChI=1S/C20H32N4O2.ClH/c1-14(2)23-20(26)24-18-8-6-16(7-9-18)12-22-19(25)11-15(3)17-5-4-10-21-13-17;/h6-9,14-15,17,21H,4-5,10-13H2,1-3H3,(H,22,25)(H2,23,24,26);1H
InChIKeyWABGXYUEDZQAQO-UHFFFAOYSA-N
MW396.96 g/mol
LogP3.28
Rot. Bonds7

About 3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride

3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride (PubChem CID 119730353) has the molecular formula C20H33ClN4O2 and a molecular weight of 396.96 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride
PubChem CID119730353
Molecular FormulaC20H33ClN4O2
Molecular Weight396.96 g/mol
Exact Mass396.23
IUPAC Name3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)CC(C)C2CCCNC2)cc1.Cl
InChIInChI=1S/C20H32N4O2.ClH/c1-14(2)23-20(26)24-18-8-6-16(7-9-18)12-22-19(25)11-15(3)17-5-4-10-21-13-17;/h6-9,14-15,17,21H,4-5,10-13H2,1-3H3,(H,22,25)(H2,23,24,26);1H
InChIKeyWABGXYUEDZQAQO-UHFFFAOYSA-N
XLogP3.28
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.96
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705537
ethyl 4-[(3-piperidin-3-ylbutanoylamino)methyl]benzoate;hydrochloride
CID 119746508
N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119769541
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119730381
N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119712153
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119730375
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3-piperidin-3-ylbutanamide
CID 119735236
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119730376
N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
CID 119738344
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119684908

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride?
The IUPAC name of 3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride (CID 119730353) is 3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride?
The canonical SMILES for 3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride is CC(C)NC(=O)Nc1ccc(CNC(=O)CC(C)C2CCCNC2)cc1.Cl.
What is the InChIKey of 3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride?
The InChIKey is WABGXYUEDZQAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2.ClH/c1-14(2)23-20(26)24-18-8-6-16(7-9-18)12-22-19(25)11-15(3)17-5-4-10-21-13-17;/h6-9,14-15,17,21H,4-5,10-13H2,1-3H3,(H,22,25)(H2,23,24,26);1H.
What are the key properties of 3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride?
3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride has a molecular weight of 396.96 g/mol, XLogP of 3.28, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 119730353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).