N-[(2S)-2-(dimethylamino)butyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide

C18H30N4O2 — CID 125447753

IUPACN-[(2S)-2-(dimethylamino)butyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
SMILESCC[C@@H](CNC(=O)N1CCC(OCc2cccnc2)CC1)N(C)C
InChIInChI=1S/C18H30N4O2/c1-4-16(21(2)3)13-20-18(23)22-10-7-17(8-11-22)24-14-15-6-5-9-19-12-15/h5-6,9,12,16-17H,4,7-8,10-11,13-14H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyBMFFKJHOVMFKOW-INIZCTEOSA-N
MW334.46 g/mol
LogP2.11
Rot. Bonds7

About N-[(2S)-2-(dimethylamino)butyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide

N-[(2S)-2-(dimethylamino)butyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide (PubChem CID 125447753) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)butyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)butyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
PubChem CID125447753
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-[(2S)-2-(dimethylamino)butyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
SMILESCC[C@@H](CNC(=O)N1CCC(OCc2cccnc2)CC1)N(C)C
InChIInChI=1S/C18H30N4O2/c1-4-16(21(2)3)13-20-18(23)22-10-7-17(8-11-22)24-14-15-6-5-9-19-12-15/h5-6,9,12,16-17H,4,7-8,10-11,13-14H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyBMFFKJHOVMFKOW-INIZCTEOSA-N
XLogP2.11
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
CID 125443225
4-(pyridin-3-ylmethoxy)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]piperidine-1-carboxamide
CID 126426003
(2S)-2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 97200726
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
CID 72859374
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
methyl (2R)-2-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 97192692
(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 91777381
[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 90649817
(3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide
CID 164638463
(3-propan-2-yl-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70738411
N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47238319
[(3aS,4R,5R,6S,7S,7aR)-6,7-dihydroxy-5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl]-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 162628082

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)butyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)butyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide (CID 125447753) is N-[(2S)-2-(dimethylamino)butyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)butyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)butyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide is CC[C@@H](CNC(=O)N1CCC(OCc2cccnc2)CC1)N(C)C.
What is the InChIKey of N-[(2S)-2-(dimethylamino)butyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide?
The InChIKey is BMFFKJHOVMFKOW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-4-16(21(2)3)13-20-18(23)22-10-7-17(8-11-22)24-14-15-6-5-9-19-12-15/h5-6,9,12,16-17H,4,7-8,10-11,13-14H2,1-3H3,(H,20,23)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)butyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide?
N-[(2S)-2-(dimethylamino)butyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)butyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide is sourced from PubChem (CID 125447753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).