N-[[(3R)-piperidin-1-ium-3-yl]methyl]propanamide

C9H19N2O+ — CID 7183073

IUPACN-[[(3R)-piperidin-1-ium-3-yl]methyl]propanamide
SMILESCCC(=O)NC[C@H]1CCC[NH2+]C1
InChIInChI=1S/C9H18N2O/c1-2-9(12)11-7-8-4-3-5-10-6-8/h8,10H,2-7H2,1H3,(H,11,12)/p+1/t8-/m0/s1
InChIKeyABUOKCYGDYMIBL-QMMMGPOBSA-O
MW171.26 g/mol
LogP-0.51
Rot. Bonds3

About N-[[(3R)-piperidin-1-ium-3-yl]methyl]propanamide

N-[[(3R)-piperidin-1-ium-3-yl]methyl]propanamide (PubChem CID 7183073) has the molecular formula C9H19N2O+ and a molecular weight of 171.26 g/mol. Its IUPAC name is N-[[(3R)-piperidin-1-ium-3-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[(3R)-piperidin-1-ium-3-yl]methyl]propanamide
PubChem CID7183073
Molecular FormulaC9H19N2O+
Molecular Weight171.26 g/mol
Exact Mass171.15
IUPAC NameN-[[(3R)-piperidin-1-ium-3-yl]methyl]propanamide
SMILESCCC(=O)NC[C@H]1CCC[NH2+]C1
InChIInChI=1S/C9H18N2O/c1-2-9(12)11-7-8-4-3-5-10-6-8/h8,10H,2-7H2,1H3,(H,11,12)/p+1/t8-/m0/s1
InChIKeyABUOKCYGDYMIBL-QMMMGPOBSA-O
XLogP-0.51
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4,4-dimethylcyclohexyl)methyl]propanamide
CID 130164605
N-[(1-iodopiperidin-4-yl)methyl]propanamide
CID 146581381
N-[(1,1-dioxothian-3-yl)methyl]propanamide
CID 138722362
N-[(3,3-difluorocyclopentyl)methyl]propanamide
CID 131084528
N-[(1-ethylsulfonylpiperidin-3-yl)methyl]propanamide
CID 50847725
N-[(6-methylpiperidin-3-yl)methyl]propanamide
CID 63007436
N-[(7-ethyl-3-bicyclo[3.3.1]nonanyl)methyl]propanamide
CID 123304596
N-[[2-(chloromethyl)cyclopentyl]methyl]propanamide
CID 114306626
3-(cyclopentylmethylamino)-3-oxopropanoic acid
CID 62232432
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 108932797
N-(cyclohexylmethyl)-4-oxopentanamide
CID 60637241
N-(cyclohexylmethyl)-2-(dipropylamino)acetamide
CID 55437784

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-piperidin-1-ium-3-yl]methyl]propanamide?
The IUPAC name of N-[[(3R)-piperidin-1-ium-3-yl]methyl]propanamide (CID 7183073) is N-[[(3R)-piperidin-1-ium-3-yl]methyl]propanamide.
What is the SMILES notation for N-[[(3R)-piperidin-1-ium-3-yl]methyl]propanamide?
The canonical SMILES for N-[[(3R)-piperidin-1-ium-3-yl]methyl]propanamide is CCC(=O)NC[C@H]1CCC[NH2+]C1.
What is the InChIKey of N-[[(3R)-piperidin-1-ium-3-yl]methyl]propanamide?
The InChIKey is ABUOKCYGDYMIBL-QMMMGPOBSA-O. The full InChI is InChI=1S/C9H18N2O/c1-2-9(12)11-7-8-4-3-5-10-6-8/h8,10H,2-7H2,1H3,(H,11,12)/p+1/t8-/m0/s1.
What are the key properties of N-[[(3R)-piperidin-1-ium-3-yl]methyl]propanamide?
N-[[(3R)-piperidin-1-ium-3-yl]methyl]propanamide has a molecular weight of 171.26 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-piperidin-1-ium-3-yl]methyl]propanamide is sourced from PubChem (CID 7183073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).