(2R,3S)-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]morpholine-3-carboxamide

C18H29N5O2 — CID 120941925

IUPAC(2R,3S)-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]morpholine-3-carboxamide
SMILESCC(CN1CCN(c2ccccn2)CC1)NC(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C18H29N5O2/c1-14(21-18(24)17-15(2)25-12-7-20-17)13-22-8-10-23(11-9-22)16-5-3-4-6-19-16/h3-6,14-15,17,20H,7-13H2,1-2H3,(H,21,24)/t14?,15-,17+/m1/s1
InChIKeyGVEKZUAMHWIZDD-LBVBGPOBSA-N
MW347.46 g/mol
LogP0.09
Rot. Bonds5

About (2R,3S)-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]morpholine-3-carboxamide (PubChem CID 120941925) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]morpholine-3-carboxamide
PubChem CID120941925
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(2R,3S)-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]morpholine-3-carboxamide
SMILESCC(CN1CCN(c2ccccn2)CC1)NC(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C18H29N5O2/c1-14(21-18(24)17-15(2)25-12-7-20-17)13-22-8-10-23(11-9-22)16-5-3-4-6-19-16/h3-6,14-15,17,20H,7-13H2,1-2H3,(H,21,24)/t14?,15-,17+/m1/s1
InChIKeyGVEKZUAMHWIZDD-LBVBGPOBSA-N
XLogP0.09
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylmorpholine-3-carboxamide
CID 120939612
1-benzyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 86968889
1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94171475
1-(2-methylbutanoyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-3-carboxamide
CID 86968814
(2R,3S)-2-methyl-N-pyridin-2-ylmorpholine-3-carboxamide;dihydrochloride
CID 120937700
2-(2,6-dichlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 86968963
2-(oxolan-2-ylmethylsulfanyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968915
2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968871
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
4-(2-chlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxane-4-carboxamide
CID 86968785
N-methyl-N-[2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]furan-2-carboxamide
CID 86969023
2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 139008384

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]morpholine-3-carboxamide (CID 120941925) is (2R,3S)-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]morpholine-3-carboxamide is CC(CN1CCN(c2ccccn2)CC1)NC(=O)[C@H]1NCCO[C@@H]1C.
What is the InChIKey of (2R,3S)-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]morpholine-3-carboxamide?
The InChIKey is GVEKZUAMHWIZDD-LBVBGPOBSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-14(21-18(24)17-15(2)25-12-7-20-17)13-22-8-10-23(11-9-22)16-5-3-4-6-19-16/h3-6,14-15,17,20H,7-13H2,1-2H3,(H,21,24)/t14?,15-,17+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]morpholine-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]morpholine-3-carboxamide is sourced from PubChem (CID 120941925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).