N-(cyclopropylmethyl)-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]acetamide

C16H31N3O — CID 63853778

IUPACN-(cyclopropylmethyl)-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]acetamide
SMILESCCCNC(C)C1CCCN(CC(=O)NCC2CC2)C1
InChIInChI=1S/C16H31N3O/c1-3-8-17-13(2)15-5-4-9-19(11-15)12-16(20)18-10-14-6-7-14/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyHSYBMXNTYNTBKV-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.61
Rot. Bonds8

About N-(cyclopropylmethyl)-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]acetamide

N-(cyclopropylmethyl)-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]acetamide (PubChem CID 63853778) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]acetamide
PubChem CID63853778
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-(cyclopropylmethyl)-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]acetamide
SMILESCCCNC(C)C1CCCN(CC(=O)NCC2CC2)C1
InChIInChI=1S/C16H31N3O/c1-3-8-17-13(2)15-5-4-9-19(11-15)12-16(20)18-10-14-6-7-14/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyHSYBMXNTYNTBKV-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 63845041
N-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]acetamide
CID 63853783
2-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63852717
1-piperidin-1-yl-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]ethanone
CID 63855346
N-(2-methylpropyl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63849503
N-[1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]propan-1-amine
CID 63854116
ethyl (3S)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339366
ethyl (3R)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339277
3-[1-(1-ethylpiperidin-3-yl)ethylamino]propanoic acid
CID 43308794
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylacetamide
CID 63848807
N-[1-[1-[2-(diethylamino)ethyl]piperidin-3-yl]ethyl]propan-1-amine
CID 63852890
2-[3-[1-(methylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 55256658

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]acetamide (CID 63853778) is N-(cyclopropylmethyl)-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]acetamide is CCCNC(C)C1CCCN(CC(=O)NCC2CC2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]acetamide?
The InChIKey is HSYBMXNTYNTBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-8-17-13(2)15-5-4-9-19(11-15)12-16(20)18-10-14-6-7-14/h13-15,17H,3-12H2,1-2H3,(H,18,20).
What are the key properties of N-(cyclopropylmethyl)-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]acetamide?
N-(cyclopropylmethyl)-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]acetamide has a molecular weight of 281.44 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 63853778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).