2-(propylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide

C16H32N4O — CID 63009895

IUPAC2-(propylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide
SMILESCCCNC(CN1CCC(CN2CCCC2)CC1)C(N)=O
InChIInChI=1S/C16H32N4O/c1-2-7-18-15(16(17)21)13-20-10-5-14(6-11-20)12-19-8-3-4-9-19/h14-15,18H,2-13H2,1H3,(H2,17,21)
InChIKeyPWWRQWPHXFNQDK-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.65
Rot. Bonds8

About 2-(propylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide

2-(propylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide (PubChem CID 63009895) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-(propylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name2-(propylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide
PubChem CID63009895
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name2-(propylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide
SMILESCCCNC(CN1CCC(CN2CCCC2)CC1)C(N)=O
InChIInChI=1S/C16H32N4O/c1-2-7-18-15(16(17)21)13-20-10-5-14(6-11-20)12-19-8-3-4-9-19/h14-15,18H,2-13H2,1H3,(H2,17,21)
InChIKeyPWWRQWPHXFNQDK-UHFFFAOYSA-N
XLogP0.65
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanoic acid
CID 63009103
2-(propylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide
CID 62968259
3-(4-methylazepan-1-yl)-2-(propylamino)propanoic acid
CID 63623597
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate
CID 64583946
3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanamide
CID 63635414
3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide
CID 107394805
2-(ethylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-ol
CID 64791676
methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propylamino)propanoate
CID 62089886
4-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)butanamide
CID 106588626
N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-amine
CID 64706192
2-(propylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanamide
CID 102745496
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propylamino)butanamide
CID 81199567

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide?
The IUPAC name of 2-(propylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide (CID 63009895) is 2-(propylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for 2-(propylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide?
The canonical SMILES for 2-(propylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide is CCCNC(CN1CCC(CN2CCCC2)CC1)C(N)=O.
What is the InChIKey of 2-(propylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide?
The InChIKey is PWWRQWPHXFNQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-2-7-18-15(16(17)21)13-20-10-5-14(6-11-20)12-19-8-3-4-9-19/h14-15,18H,2-13H2,1H3,(H2,17,21).
What are the key properties of 2-(propylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide?
2-(propylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide has a molecular weight of 296.46 g/mol, XLogP of 0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 63009895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).