N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide

C16H27N3O2 — CID 171335073

IUPACN-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)C1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C16H27N3O2/c1-18(16(21)12-3-2-4-12)14-7-9-19(10-8-14)11-15(20)17-13-5-6-13/h12-14H,2-11H2,1H3,(H,17,20)
InChIKeyKVXVSDYINFFDBL-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.99
Rot. Bonds5

About N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide

N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide (PubChem CID 171335073) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
PubChem CID171335073
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)C1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C16H27N3O2/c1-18(16(21)12-3-2-4-12)14-7-9-19(10-8-14)11-15(20)17-13-5-6-13/h12-14H,2-11H2,1H3,(H,17,20)
InChIKeyKVXVSDYINFFDBL-UHFFFAOYSA-N
XLogP0.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 39246836
N-cyclopropyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058309
N-cyclopropyl-2-[4-[methyl-[(4-phenylphenyl)carbamoyl]amino]piperidin-1-yl]acetamide
CID 20782512
1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908022
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylacetamide
CID 30958664
N-cyclopropyl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114502743
N-cyclopropyl-2-[3-[cyclopropylsulfonyl(methyl)amino]piperidin-1-yl]acetamide
CID 163345230
N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171336029
1-[2-(cyclopropylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63030850
2-(azepan-1-yl)-N-[1-(2-methylsulfanylethyl)piperidin-4-yl]acetamide
CID 131905976
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 79327663
N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962419

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide?
The IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide (CID 171335073) is N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide.
What is the SMILES notation for N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide?
The canonical SMILES for N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide is CN(C(=O)C1CCC1)C1CCN(CC(=O)NC2CC2)CC1.
What is the InChIKey of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide?
The InChIKey is KVXVSDYINFFDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-18(16(21)12-3-2-4-12)14-7-9-19(10-8-14)11-15(20)17-13-5-6-13/h12-14H,2-11H2,1H3,(H,17,20).
What are the key properties of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide?
N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide has a molecular weight of 293.41 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 171335073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).