propan-2-yl 4-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]piperidine-1-carboxylate

C20H30N4O3 — CID 133352908

IUPACpropan-2-yl 4-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(Nc2ncccc2C(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H30N4O3/c1-15(2)27-20(26)24-13-8-16(9-14-24)22-18-17(7-6-10-21-18)19(25)23-11-4-3-5-12-23/h6-7,10,15-16H,3-5,8-9,11-14H2,1-2H3,(H,21,22)
InChIKeyAOLQRPRCUREMAR-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.13
Rot. Bonds4

About propan-2-yl 4-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]piperidine-1-carboxylate

propan-2-yl 4-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]piperidine-1-carboxylate (PubChem CID 133352908) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is propan-2-yl 4-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]piperidine-1-carboxylate
PubChem CID133352908
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Namepropan-2-yl 4-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(Nc2ncccc2C(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H30N4O3/c1-15(2)27-20(26)24-13-8-16(9-14-24)22-18-17(7-6-10-21-18)19(25)23-11-4-3-5-12-23/h6-7,10,15-16H,3-5,8-9,11-14H2,1-2H3,(H,21,22)
InChIKeyAOLQRPRCUREMAR-UHFFFAOYSA-N
XLogP3.13
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 4-[[3-(methylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 133352925
1-[2-(propan-2-ylamino)pyridine-3-carbonyl]piperidine-4-carboxylic acid
CID 119349576
[(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 96502046
2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 84574880
[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 135105421
2-(cycloheptylamino)pyridine-3-carboxylic acid
CID 43236673
propan-2-yl 4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 133360474
[2-(cyclopentylamino)-3-pyridinyl]-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]methanone
CID 155950757
N-cyclohexyl-3-[[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]propanamide
CID 135089182
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 124682502
propan-2-yl 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carboxylate
CID 133470577
[2-[2-(3-methylpiperidin-1-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133328244

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]piperidine-1-carboxylate (CID 133352908) is propan-2-yl 4-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(Nc2ncccc2C(=O)N2CCCCC2)CC1.
What is the InChIKey of propan-2-yl 4-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The InChIKey is AOLQRPRCUREMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-15(2)27-20(26)24-13-8-16(9-14-24)22-18-17(7-6-10-21-18)19(25)23-11-4-3-5-12-23/h6-7,10,15-16H,3-5,8-9,11-14H2,1-2H3,(H,21,22).
What are the key properties of propan-2-yl 4-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
propan-2-yl 4-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]piperidine-1-carboxylate has a molecular weight of 374.49 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 133352908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).