N-[1-(diethylamino)-1-oxopropan-2-yl]-4-propylpiperidine-4-carboxamide

C16H31N3O2 — CID 63128141

IUPACN-[1-(diethylamino)-1-oxopropan-2-yl]-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)NC(C)C(=O)N(CC)CC)CCNCC1
InChIInChI=1S/C16H31N3O2/c1-5-8-16(9-11-17-12-10-16)15(21)18-13(4)14(20)19(6-2)7-3/h13,17H,5-12H2,1-4H3,(H,18,21)
InChIKeySDKLYVQFHFVNLE-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.53
Rot. Bonds7

About N-[1-(diethylamino)-1-oxopropan-2-yl]-4-propylpiperidine-4-carboxamide

N-[1-(diethylamino)-1-oxopropan-2-yl]-4-propylpiperidine-4-carboxamide (PubChem CID 63128141) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[1-(diethylamino)-1-oxopropan-2-yl]-4-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(diethylamino)-1-oxopropan-2-yl]-4-propylpiperidine-4-carboxamide
PubChem CID63128141
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-[1-(diethylamino)-1-oxopropan-2-yl]-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)NC(C)C(=O)N(CC)CC)CCNCC1
InChIInChI=1S/C16H31N3O2/c1-5-8-16(9-11-17-12-10-16)15(21)18-13(4)14(20)19(6-2)7-3/h13,17H,5-12H2,1-4H3,(H,18,21)
InChIKeySDKLYVQFHFVNLE-UHFFFAOYSA-N
XLogP1.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide
CID 63127682
3-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid
CID 63128810
N-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxamide
CID 55178364
N-(2-methylbutyl)-4-propylpiperidine-4-carboxamide
CID 63129494
methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate
CID 63142586
5-[(4-propylpiperidine-4-carbonyl)amino]hexanoic acid
CID 82846529
1-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 115437311
N-[(1S)-1-cyclohexylethyl]-4-propylpiperidine-4-carboxamide
CID 81385508
N-[(1R)-1-(4-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81348727
3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid
CID 81073203
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81357228
N-(1-cyanobutan-2-yl)-4-propylpiperidine-4-carboxamide
CID 63129472

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)-1-oxopropan-2-yl]-4-propylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(diethylamino)-1-oxopropan-2-yl]-4-propylpiperidine-4-carboxamide (CID 63128141) is N-[1-(diethylamino)-1-oxopropan-2-yl]-4-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(diethylamino)-1-oxopropan-2-yl]-4-propylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(diethylamino)-1-oxopropan-2-yl]-4-propylpiperidine-4-carboxamide is CCCC1(C(=O)NC(C)C(=O)N(CC)CC)CCNCC1.
What is the InChIKey of N-[1-(diethylamino)-1-oxopropan-2-yl]-4-propylpiperidine-4-carboxamide?
The InChIKey is SDKLYVQFHFVNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-5-8-16(9-11-17-12-10-16)15(21)18-13(4)14(20)19(6-2)7-3/h13,17H,5-12H2,1-4H3,(H,18,21).
What are the key properties of N-[1-(diethylamino)-1-oxopropan-2-yl]-4-propylpiperidine-4-carboxamide?
N-[1-(diethylamino)-1-oxopropan-2-yl]-4-propylpiperidine-4-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)-1-oxopropan-2-yl]-4-propylpiperidine-4-carboxamide is sourced from PubChem (CID 63128141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).