N-tert-butyl-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide

C14H27N3O2 — CID 71783420

IUPACN-tert-butyl-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)15-13(19)17-8-6-16(7-9-17)10-12(18)11-4-5-11/h11-12,18H,4-10H2,1-3H3,(H,15,19)
InChIKeyTVSIAAKCXQZFCK-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.88
Rot. Bonds3

About N-tert-butyl-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide

N-tert-butyl-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide (PubChem CID 71783420) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-tert-butyl-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide
PubChem CID71783420
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-tert-butyl-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)15-13(19)17-8-6-16(7-9-17)10-12(18)11-4-5-11/h11-12,18H,4-10H2,1-3H3,(H,15,19)
InChIKeyTVSIAAKCXQZFCK-UHFFFAOYSA-N
XLogP0.88
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Cyclopropyl-1-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-1-methylurea
CID 75421109
1-(2-Cyclopropyl-2-hydroxyethyl)-3-(1-propylpiperidin-4-yl)urea
CID 71867887
1-[3-(Hydroxymethyl)pentan-3-yl]-3-[2-(2-methylpiperidin-1-yl)ethyl]urea
CID 72131926
4-(2-cyclopropyl-2-hydroxyethyl)-N-ethylpiperazine-1-carboxamide
CID 71783438
4-(2-cyclopropyl-2-hydroxyethyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 71783442
1-(Tert-butyl)-3-(2-(4-hydroxypiperidin-1-yl)ethyl)urea
CID 76146034
N-ethyl-4-[(R)-2-cyclopropyl-2-hydroxyethyl]-1-piperazinecarboxamide
CID 97039180
(2-Hydroxy-4-methyl-3-piperidin-1-ylpentan-3-yl)urea
CID 53868820
(2-Hydroxy-5-methyl-3-piperidin-1-ylhexan-3-yl)urea
CID 54141738
1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-tert-butylurea
CID 89492886
1-tert-butyl-3-[(3R)-1-(2-hydroxybutyl)piperidin-3-yl]urea
CID 118591712
N-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
CID 143215183

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide (CID 71783420) is N-tert-butyl-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide is CC(C)(C)NC(=O)N1CCN(CC(O)C2CC2)CC1.
What is the InChIKey of N-tert-butyl-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide?
The InChIKey is TVSIAAKCXQZFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-14(2,3)15-13(19)17-8-6-16(7-9-17)10-12(18)11-4-5-11/h11-12,18H,4-10H2,1-3H3,(H,15,19).
What are the key properties of N-tert-butyl-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide?
N-tert-butyl-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 71783420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).