1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide

C20H23FN4O2 — CID 97152357

IUPAC1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide
SMILESNC(=O)CN1CCC(C(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN4O2/c21-17-3-1-14(2-4-17)19(15-5-9-23-10-6-15)24-20(27)16-7-11-25(12-8-16)13-18(22)26/h1-6,9-10,16,19H,7-8,11-13H2,(H2,22,26)(H,24,27)/t19-/m0/s1
InChIKeyIOIIRUZWZGSFPX-IBGZPJMESA-N
MW370.43 g/mol
LogP1.62
Rot. Bonds6

About 1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide

1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide (PubChem CID 97152357) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide
PubChem CID97152357
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide
SMILESNC(=O)CN1CCC(C(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN4O2/c21-17-3-1-14(2-4-17)19(15-5-9-23-10-6-15)24-20(27)16-7-11-25(12-8-16)13-18(22)26/h1-6,9-10,16,19H,7-8,11-13H2,(H2,22,26)(H,24,27)/t19-/m0/s1
InChIKeyIOIIRUZWZGSFPX-IBGZPJMESA-N
XLogP1.62
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide
CID 91773846
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylacetamide
CID 110444227
1-(2-amino-2-oxoethyl)-N-[(1S)-1-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide
CID 97134473
(2S)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(3-fluorophenyl)acetic acid
CID 97280866
2-[4-(1-pyridin-4-ylethylamino)piperidin-1-yl]acetamide
CID 43746847
4-[bis(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674116
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 55987080
1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 134035144
2-[4-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]piperidin-1-yl]acetamide
CID 95159118
(2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(2-fluorophenyl)acetic acid
CID 97282994
N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121427392
2-[4-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]acetamide
CID 97122736

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide (CID 97152357) is 1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide is NC(=O)CN1CCC(C(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide?
The InChIKey is IOIIRUZWZGSFPX-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23FN4O2/c21-17-3-1-14(2-4-17)19(15-5-9-23-10-6-15)24-20(27)16-7-11-25(12-8-16)13-18(22)26/h1-6,9-10,16,19H,7-8,11-13H2,(H2,22,26)(H,24,27)/t19-/m0/s1.
What are the key properties of 1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide?
1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 97152357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).